2-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(oxolan-3-yl)ethanone

C13H23NO3 — CID 106836620

IUPAC2-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(oxolan-3-yl)ethanone
SMILESCC(O)C1CCN(CC(=O)C2CCOC2)CC1
InChIInChI=1S/C13H23NO3/c1-10(15)11-2-5-14(6-3-11)8-13(16)12-4-7-17-9-12/h10-12,15H,2-9H2,1H3
InChIKeyIAWDHTCBHZXSBF-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.68
Rot. Bonds4

About 2-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(oxolan-3-yl)ethanone

2-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(oxolan-3-yl)ethanone (PubChem CID 106836620) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(oxolan-3-yl)ethanone
PubChem CID106836620
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(oxolan-3-yl)ethanone
SMILESCC(O)C1CCN(CC(=O)C2CCOC2)CC1
InChIInChI=1S/C13H23NO3/c1-10(15)11-2-5-14(6-3-11)8-13(16)12-4-7-17-9-12/h10-12,15H,2-9H2,1H3
InChIKeyIAWDHTCBHZXSBF-UHFFFAOYSA-N
XLogP0.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxolan-3-yl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103498923
1-(oxolan-3-yl)-2-(4-propylpiperazin-1-yl)ethanone
CID 104749907
1-[2-oxo-2-(oxolan-3-yl)ethyl]piperidine-4-carboxamide
CID 104749892
[4-(1-hydroxyethyl)piperidin-1-yl]-(oxolan-3-yl)methanone
CID 112537686
1-(oxolan-3-yl)-2-piperazin-1-ylethanone
CID 104750458
2-(4-acetyl-1,4-diazepan-1-yl)-1-(oxolan-3-yl)ethanone
CID 104750236
1-(oxolan-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 104749860
2-(azetidin-1-yl)-1-(oxan-3-yl)ethanone
CID 130757980
2-(3-azaspiro[5.5]undecan-3-yl)-1-(oxolan-3-yl)ethanone
CID 104750677
[4-(1-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 112537685
1-cyclopentyl-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103498957
3-methyl-1-(oxolan-3-yl)pentan-1-one
CID 65330399

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(oxolan-3-yl)ethanone (CID 106836620) is 2-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(oxolan-3-yl)ethanone is CC(O)C1CCN(CC(=O)C2CCOC2)CC1.
What is the InChIKey of 2-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(oxolan-3-yl)ethanone?
The InChIKey is IAWDHTCBHZXSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10(15)11-2-5-14(6-3-11)8-13(16)12-4-7-17-9-12/h10-12,15H,2-9H2,1H3.
What are the key properties of 2-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(oxolan-3-yl)ethanone?
2-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(oxolan-3-yl)ethanone has a molecular weight of 241.33 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 106836620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).